USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -166:sc= -0.021 (180deg=-0.217) USER MOD Single : A 9 THR OG1 : rot -110:sc= -2.58 USER MOD Single : A 18 LYS NZ :NH3+ -109:sc= 0.261 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 45 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.55) USER MOD Single : A 48 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.59) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.82 K(o=-1.8,f=-5.8!) USER MOD Single : A 56 SER OG : rot -10:sc= 1.87 USER MOD Single : A 58 GLN : amide:sc= 0.0858 K(o=0.086,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -161:sc= -0.408 USER MOD Single : A 75 SER OG : rot 124:sc= -1.09! USER MOD Single : A 92 SER OG : rot 103:sc= -1.94 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.810 -16.058 -23.760 1.00 0.00 N ATOM 2 CA ALA A 1 1.789 -15.177 -23.073 1.00 0.00 C ATOM 3 C ALA A 1 2.156 -15.733 -21.697 1.00 0.00 C ATOM 4 O ALA A 1 3.274 -15.544 -21.219 1.00 0.00 O ATOM 5 CB ALA A 1 1.224 -13.772 -22.950 1.00 0.00 C ATOM 0 H1 ALA A 1 0.756 -15.799 -24.766 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.114 -17.049 -23.673 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.127 -15.944 -23.322 1.00 0.00 H new ATOM 0 HA ALA A 1 2.700 -15.140 -23.670 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.947 -13.132 -22.445 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.019 -13.374 -23.944 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.300 -13.801 -22.373 1.00 0.00 H new ATOM 13 N VAL A 2 1.201 -16.421 -21.071 1.00 0.00 N ATOM 14 CA VAL A 2 1.398 -17.023 -19.751 1.00 0.00 C ATOM 15 C VAL A 2 2.091 -16.070 -18.777 1.00 0.00 C ATOM 16 O VAL A 2 2.294 -14.896 -19.078 1.00 0.00 O ATOM 17 CB VAL A 2 2.197 -18.340 -19.842 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.445 -19.356 -20.691 1.00 0.00 C ATOM 19 CG2 VAL A 2 3.594 -18.097 -20.401 1.00 0.00 C ATOM 0 H VAL A 2 0.272 -16.577 -21.462 1.00 0.00 H new ATOM 0 HA VAL A 2 0.401 -17.239 -19.366 1.00 0.00 H new ATOM 0 HB VAL A 2 2.308 -18.742 -18.835 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.020 -20.280 -20.747 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.474 -19.559 -20.240 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.302 -18.957 -21.695 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.134 -19.042 -20.454 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.517 -17.667 -21.400 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.132 -17.408 -19.750 1.00 0.00 H new ATOM 29 N LEU A 3 2.413 -16.580 -17.591 1.00 0.00 N ATOM 30 CA LEU A 3 3.045 -15.800 -16.556 1.00 0.00 C ATOM 31 C LEU A 3 4.531 -15.631 -16.782 1.00 0.00 C ATOM 32 O LEU A 3 5.098 -16.145 -17.745 1.00 0.00 O ATOM 33 CB LEU A 3 2.824 -16.474 -15.197 1.00 0.00 C ATOM 34 CG LEU A 3 1.673 -15.911 -14.367 1.00 0.00 C ATOM 35 CD1 LEU A 3 1.308 -14.544 -14.881 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.466 -16.841 -14.407 1.00 0.00 C ATOM 0 H LEU A 3 2.238 -17.550 -17.330 1.00 0.00 H new ATOM 0 HA LEU A 3 2.589 -14.810 -16.578 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.645 -17.536 -15.362 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.743 -16.392 -14.616 1.00 0.00 H new ATOM 0 HG LEU A 3 1.993 -15.830 -13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.486 -14.140 -14.290 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.171 -13.883 -14.802 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.002 -14.617 -15.925 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.340 -16.417 -13.808 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.130 -16.957 -15.437 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.744 -17.815 -14.004 1.00 0.00 H new ATOM 48 N ASP A 4 5.164 -14.930 -15.846 1.00 0.00 N ATOM 49 CA ASP A 4 6.584 -14.710 -15.897 1.00 0.00 C ATOM 50 C ASP A 4 7.293 -15.945 -15.352 1.00 0.00 C ATOM 51 O ASP A 4 7.781 -16.786 -16.107 1.00 0.00 O ATOM 52 CB ASP A 4 6.962 -13.451 -15.108 1.00 0.00 C ATOM 53 CG ASP A 4 8.343 -12.926 -15.452 1.00 0.00 C ATOM 54 OD1 ASP A 4 8.646 -12.782 -16.653 1.00 0.00 O ATOM 55 OD2 ASP A 4 9.119 -12.648 -14.512 1.00 0.00 O ATOM 0 H ASP A 4 4.701 -14.506 -15.042 1.00 0.00 H new ATOM 0 HA ASP A 4 6.898 -14.549 -16.928 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.225 -12.672 -15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.919 -13.671 -14.041 1.00 0.00 H new ATOM 60 N LEU A 5 7.290 -16.063 -14.034 1.00 0.00 N ATOM 61 CA LEU A 5 7.866 -17.214 -13.354 1.00 0.00 C ATOM 62 C LEU A 5 6.812 -18.302 -13.255 1.00 0.00 C ATOM 63 O LEU A 5 7.002 -19.441 -13.683 1.00 0.00 O ATOM 64 CB LEU A 5 8.465 -16.813 -11.976 1.00 0.00 C ATOM 65 CG LEU A 5 7.568 -16.820 -10.711 1.00 0.00 C ATOM 66 CD1 LEU A 5 6.369 -15.932 -10.845 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.194 -18.228 -10.291 1.00 0.00 C ATOM 0 H LEU A 5 6.890 -15.366 -13.406 1.00 0.00 H new ATOM 0 HA LEU A 5 8.704 -17.608 -13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.306 -17.479 -11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.872 -15.807 -12.079 1.00 0.00 H new ATOM 0 HG LEU A 5 8.168 -16.396 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.779 -15.977 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.694 -14.906 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.761 -16.266 -11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.566 -18.187 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.648 -18.716 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.099 -18.794 -10.071 1.00 0.00 H new ATOM 79 N ASP A 6 5.701 -17.898 -12.700 1.00 0.00 N ATOM 80 CA ASP A 6 4.538 -18.714 -12.514 1.00 0.00 C ATOM 81 C ASP A 6 3.372 -17.811 -12.161 1.00 0.00 C ATOM 82 O ASP A 6 2.295 -17.899 -12.741 1.00 0.00 O ATOM 83 CB ASP A 6 4.781 -19.715 -11.408 1.00 0.00 C ATOM 84 CG ASP A 6 4.560 -21.151 -11.838 1.00 0.00 C ATOM 85 OD1 ASP A 6 5.137 -21.557 -12.868 1.00 0.00 O ATOM 86 OD2 ASP A 6 3.817 -21.871 -11.138 1.00 0.00 O ATOM 0 H ASP A 6 5.580 -16.947 -12.350 1.00 0.00 H new ATOM 0 HA ASP A 6 4.315 -19.264 -13.428 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.803 -19.605 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.121 -19.488 -10.571 1.00 0.00 H new ATOM 91 N VAL A 7 3.628 -16.933 -11.193 1.00 0.00 N ATOM 92 CA VAL A 7 2.633 -15.976 -10.713 1.00 0.00 C ATOM 93 C VAL A 7 3.011 -14.499 -10.979 1.00 0.00 C ATOM 94 O VAL A 7 2.288 -13.593 -10.563 1.00 0.00 O ATOM 95 CB VAL A 7 2.388 -16.157 -9.202 1.00 0.00 C ATOM 96 CG1 VAL A 7 1.970 -17.588 -8.892 1.00 0.00 C ATOM 97 CG2 VAL A 7 3.636 -15.779 -8.417 1.00 0.00 C ATOM 0 H VAL A 7 4.529 -16.865 -10.720 1.00 0.00 H new ATOM 0 HA VAL A 7 1.728 -16.191 -11.280 1.00 0.00 H new ATOM 0 HB VAL A 7 1.576 -15.495 -8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.802 -17.694 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.051 -17.823 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.758 -18.273 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.449 -15.911 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.465 -16.417 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.888 -14.737 -8.614 1.00 0.00 H new ATOM 107 N ARG A 8 4.162 -14.256 -11.607 1.00 0.00 N ATOM 108 CA ARG A 8 4.639 -12.910 -11.866 1.00 0.00 C ATOM 109 C ARG A 8 4.037 -12.293 -13.125 1.00 0.00 C ATOM 110 O ARG A 8 3.106 -12.833 -13.716 1.00 0.00 O ATOM 111 CB ARG A 8 6.151 -12.941 -12.000 1.00 0.00 C ATOM 112 CG ARG A 8 6.883 -12.927 -10.682 1.00 0.00 C ATOM 113 CD ARG A 8 8.296 -13.461 -10.850 1.00 0.00 C ATOM 114 NE ARG A 8 9.073 -13.413 -9.612 1.00 0.00 N ATOM 115 CZ ARG A 8 10.314 -12.933 -9.528 1.00 0.00 C ATOM 116 NH1 ARG A 8 10.935 -12.464 -10.606 1.00 0.00 N ATOM 117 NH2 ARG A 8 10.944 -12.932 -8.361 1.00 0.00 N ATOM 0 H ARG A 8 4.784 -14.989 -11.947 1.00 0.00 H new ATOM 0 HA ARG A 8 4.327 -12.289 -11.026 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.438 -13.835 -12.554 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.471 -12.083 -12.591 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.917 -11.911 -10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.344 -13.533 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.250 -14.491 -11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.809 -12.882 -11.618 1.00 0.00 H new ATOM 0 HE ARG A 8 8.639 -13.769 -8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.462 -12.469 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.884 -12.099 -10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.479 -13.298 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.893 -12.565 -8.294 1.00 0.00 H new ATOM 131 N THR A 9 4.601 -11.153 -13.528 1.00 0.00 N ATOM 132 CA THR A 9 4.167 -10.430 -14.700 1.00 0.00 C ATOM 133 C THR A 9 5.356 -10.063 -15.593 1.00 0.00 C ATOM 134 O THR A 9 6.472 -10.543 -15.390 1.00 0.00 O ATOM 135 CB THR A 9 3.434 -9.167 -14.273 1.00 0.00 C ATOM 136 OG1 THR A 9 3.559 -8.956 -12.876 1.00 0.00 O ATOM 137 CG2 THR A 9 1.962 -9.184 -14.601 1.00 0.00 C ATOM 0 H THR A 9 5.378 -10.711 -13.038 1.00 0.00 H new ATOM 0 HA THR A 9 3.497 -11.071 -15.273 1.00 0.00 H new ATOM 0 HB THR A 9 3.905 -8.363 -14.838 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.693 -9.107 -12.444 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.504 -8.252 -14.268 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.830 -9.288 -15.678 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.486 -10.024 -14.094 1.00 0.00 H new ATOM 145 N CYS A 10 5.105 -9.201 -16.579 1.00 0.00 N ATOM 146 CA CYS A 10 6.147 -8.754 -17.511 1.00 0.00 C ATOM 147 C CYS A 10 7.426 -8.341 -16.771 1.00 0.00 C ATOM 148 O CYS A 10 7.477 -8.360 -15.542 1.00 0.00 O ATOM 149 CB CYS A 10 5.630 -7.584 -18.358 1.00 0.00 C ATOM 150 SG CYS A 10 5.290 -8.013 -20.098 1.00 0.00 S ATOM 0 H CYS A 10 4.186 -8.796 -16.755 1.00 0.00 H new ATOM 0 HA CYS A 10 6.393 -9.592 -18.163 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.716 -7.198 -17.905 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.364 -6.778 -18.331 1.00 0.00 H new ATOM 155 N LEU A 11 8.461 -7.975 -17.530 1.00 0.00 N ATOM 156 CA LEU A 11 9.740 -7.570 -16.941 1.00 0.00 C ATOM 157 C LEU A 11 9.634 -6.202 -16.254 1.00 0.00 C ATOM 158 O LEU A 11 8.883 -5.328 -16.690 1.00 0.00 O ATOM 159 CB LEU A 11 10.834 -7.543 -18.014 1.00 0.00 C ATOM 160 CG LEU A 11 12.163 -8.195 -17.612 1.00 0.00 C ATOM 161 CD1 LEU A 11 11.950 -9.638 -17.176 1.00 0.00 C ATOM 162 CD2 LEU A 11 13.164 -8.132 -18.758 1.00 0.00 C ATOM 0 H LEU A 11 8.440 -7.951 -18.549 1.00 0.00 H new ATOM 0 HA LEU A 11 10.005 -8.305 -16.181 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.458 -8.044 -18.906 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.026 -6.506 -18.288 1.00 0.00 H new ATOM 0 HG LEU A 11 12.568 -7.637 -16.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.907 -10.078 -16.896 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.275 -9.664 -16.321 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.516 -10.206 -17.999 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.099 -8.600 -18.450 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.761 -8.660 -19.622 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.349 -7.091 -19.022 1.00 0.00 H new ATOM 174 N PRO A 12 10.377 -6.006 -15.145 1.00 0.00 N ATOM 175 CA PRO A 12 10.348 -4.759 -14.383 1.00 0.00 C ATOM 176 C PRO A 12 10.506 -3.497 -15.227 1.00 0.00 C ATOM 177 O PRO A 12 10.915 -3.544 -16.388 1.00 0.00 O ATOM 178 CB PRO A 12 11.532 -4.875 -13.429 1.00 0.00 C ATOM 179 CG PRO A 12 11.790 -6.325 -13.281 1.00 0.00 C ATOM 180 CD PRO A 12 11.275 -7.002 -14.530 1.00 0.00 C ATOM 0 HA PRO A 12 9.378 -4.649 -13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.407 -4.361 -13.827 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.304 -4.418 -12.466 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.856 -6.515 -13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.288 -6.717 -12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.091 -7.270 -15.202 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.743 -7.923 -14.292 1.00 0.00 H new ATOM 188 N CYS A 13 10.169 -2.369 -14.607 1.00 0.00 N ATOM 189 CA CYS A 13 10.229 -1.073 -15.237 1.00 0.00 C ATOM 190 C CYS A 13 10.570 0.001 -14.203 1.00 0.00 C ATOM 191 O CYS A 13 11.109 -0.299 -13.137 1.00 0.00 O ATOM 192 CB CYS A 13 8.886 -0.788 -15.925 1.00 0.00 C ATOM 193 SG CYS A 13 8.857 0.639 -17.050 1.00 0.00 S ATOM 0 H CYS A 13 9.844 -2.340 -13.641 1.00 0.00 H new ATOM 0 HA CYS A 13 11.016 -1.061 -15.991 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.592 -1.675 -16.487 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.131 -0.634 -15.154 1.00 0.00 H new ATOM 198 N GLY A 14 10.235 1.237 -14.519 1.00 0.00 N ATOM 199 CA GLY A 14 10.497 2.333 -13.612 1.00 0.00 C ATOM 200 C GLY A 14 11.918 2.327 -13.090 1.00 0.00 C ATOM 201 O GLY A 14 12.854 1.970 -13.805 1.00 0.00 O ATOM 0 H GLY A 14 9.783 1.505 -15.393 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.305 3.277 -14.123 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.805 2.279 -12.772 1.00 0.00 H new ATOM 205 N PRO A 15 12.091 2.735 -11.836 1.00 0.00 N ATOM 206 CA PRO A 15 13.395 2.804 -11.172 1.00 0.00 C ATOM 207 C PRO A 15 13.838 1.456 -10.589 1.00 0.00 C ATOM 208 O PRO A 15 13.622 1.180 -9.409 1.00 0.00 O ATOM 209 CB PRO A 15 13.102 3.811 -10.065 1.00 0.00 C ATOM 210 CG PRO A 15 11.720 3.468 -9.659 1.00 0.00 C ATOM 211 CD PRO A 15 11.002 3.190 -10.954 1.00 0.00 C ATOM 0 HA PRO A 15 14.210 3.077 -11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.802 3.714 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.174 4.838 -10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.704 2.598 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.252 4.288 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.232 2.428 -10.835 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.510 4.081 -11.344 1.00 0.00 H new ATOM 219 N GLY A 16 14.458 0.621 -11.425 1.00 0.00 N ATOM 220 CA GLY A 16 14.918 -0.686 -10.974 1.00 0.00 C ATOM 221 C GLY A 16 13.957 -1.797 -11.360 1.00 0.00 C ATOM 222 O GLY A 16 14.276 -2.656 -12.181 1.00 0.00 O ATOM 0 H GLY A 16 14.650 0.826 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.899 -0.892 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.039 -0.673 -9.891 1.00 0.00 H new ATOM 226 N GLY A 17 12.767 -1.754 -10.780 1.00 0.00 N ATOM 227 CA GLY A 17 11.739 -2.725 -11.072 1.00 0.00 C ATOM 228 C GLY A 17 10.471 -2.425 -10.326 1.00 0.00 C ATOM 229 O GLY A 17 9.749 -3.318 -9.880 1.00 0.00 O ATOM 0 H GLY A 17 12.494 -1.047 -10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.539 -2.733 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.092 -3.721 -10.806 1.00 0.00 H new ATOM 233 N LYS A 18 10.215 -1.143 -10.217 1.00 0.00 N ATOM 234 CA LYS A 18 9.049 -0.618 -9.558 1.00 0.00 C ATOM 235 C LYS A 18 7.817 -0.911 -10.370 1.00 0.00 C ATOM 236 O LYS A 18 6.699 -0.967 -9.858 1.00 0.00 O ATOM 237 CB LYS A 18 9.190 0.875 -9.482 1.00 0.00 C ATOM 238 CG LYS A 18 9.551 1.409 -8.139 1.00 0.00 C ATOM 239 CD LYS A 18 10.514 0.491 -7.437 1.00 0.00 C ATOM 240 CE LYS A 18 10.941 1.051 -6.093 1.00 0.00 C ATOM 241 NZ LYS A 18 10.074 0.556 -4.989 1.00 0.00 N ATOM 0 H LYS A 18 10.829 -0.421 -10.594 1.00 0.00 H new ATOM 0 HA LYS A 18 8.960 -1.071 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.950 1.189 -10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.250 1.329 -9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.997 2.398 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.651 1.528 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.049 -0.485 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.393 0.337 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.976 0.773 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.904 2.140 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.475 1.333 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.471 -0.215 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.669 0.204 -4.212 1.00 0.00 H new ATOM 255 N GLY A 19 8.059 -1.123 -11.638 1.00 0.00 N ATOM 256 CA GLY A 19 7.031 -1.444 -12.572 1.00 0.00 C ATOM 257 C GLY A 19 7.498 -2.434 -13.614 1.00 0.00 C ATOM 258 O GLY A 19 8.413 -3.212 -13.382 1.00 0.00 O ATOM 0 H GLY A 19 8.992 -1.075 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.174 -1.856 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.692 -0.533 -13.065 1.00 0.00 H new ATOM 262 N ARG A 20 6.820 -2.401 -14.745 1.00 0.00 N ATOM 263 CA ARG A 20 7.091 -3.290 -15.851 1.00 0.00 C ATOM 264 C ARG A 20 6.457 -2.748 -17.127 1.00 0.00 C ATOM 265 O ARG A 20 5.798 -1.716 -17.097 1.00 0.00 O ATOM 266 CB ARG A 20 6.513 -4.640 -15.510 1.00 0.00 C ATOM 267 CG ARG A 20 5.030 -4.565 -15.297 1.00 0.00 C ATOM 268 CD ARG A 20 4.364 -5.891 -15.549 1.00 0.00 C ATOM 269 NE ARG A 20 3.397 -6.235 -14.508 1.00 0.00 N ATOM 270 CZ ARG A 20 3.670 -6.272 -13.204 1.00 0.00 C ATOM 271 NH1 ARG A 20 4.894 -6.009 -12.753 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.711 -6.587 -12.344 1.00 0.00 N ATOM 0 H ARG A 20 6.057 -1.747 -14.921 1.00 0.00 H new ATOM 0 HA ARG A 20 8.165 -3.372 -16.019 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.731 -5.344 -16.313 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.992 -5.025 -14.610 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.825 -4.243 -14.276 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.605 -3.812 -15.961 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.860 -5.864 -16.515 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.123 -6.671 -15.608 1.00 0.00 H new ATOM 0 HE ARG A 20 2.447 -6.463 -14.800 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.640 -5.775 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.087 -6.042 -11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.772 -6.799 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.912 -6.617 -11.344 1.00 0.00 H new ATOM 286 N CYS A 21 6.615 -3.480 -18.221 1.00 0.00 N ATOM 287 CA CYS A 21 6.021 -3.100 -19.501 1.00 0.00 C ATOM 288 C CYS A 21 4.824 -3.991 -19.777 1.00 0.00 C ATOM 289 O CYS A 21 4.950 -5.212 -19.719 1.00 0.00 O ATOM 290 CB CYS A 21 7.041 -3.282 -20.608 1.00 0.00 C ATOM 291 SG CYS A 21 7.759 -1.735 -21.254 1.00 0.00 S ATOM 0 H CYS A 21 7.153 -4.346 -18.250 1.00 0.00 H new ATOM 0 HA CYS A 21 5.708 -2.057 -19.462 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.849 -3.913 -20.237 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.570 -3.818 -21.432 1.00 0.00 H new ATOM 296 N PHE A 22 3.652 -3.421 -20.036 1.00 0.00 N ATOM 297 CA PHE A 22 2.458 -4.229 -20.258 1.00 0.00 C ATOM 298 C PHE A 22 2.225 -4.563 -21.738 1.00 0.00 C ATOM 299 O PHE A 22 1.317 -5.330 -22.061 1.00 0.00 O ATOM 300 CB PHE A 22 1.251 -3.489 -19.676 1.00 0.00 C ATOM 301 CG PHE A 22 1.206 -3.511 -18.175 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.369 -3.372 -17.427 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.001 -3.669 -17.507 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.318 -3.391 -16.049 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.045 -3.690 -16.127 1.00 0.00 C ATOM 306 CZ PHE A 22 1.114 -3.548 -15.400 1.00 0.00 C ATOM 0 H PHE A 22 3.503 -2.414 -20.097 1.00 0.00 H new ATOM 0 HA PHE A 22 2.600 -5.185 -19.754 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.270 -2.454 -20.017 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.337 -3.936 -20.066 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.318 -3.248 -17.928 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.913 -3.777 -18.073 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.227 -3.282 -15.476 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.990 -3.818 -15.619 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.080 -3.560 -14.321 1.00 0.00 H new ATOM 316 N GLY A 23 3.071 -4.042 -22.631 1.00 0.00 N ATOM 317 CA GLY A 23 2.911 -4.393 -24.039 1.00 0.00 C ATOM 318 C GLY A 23 3.143 -3.290 -25.061 1.00 0.00 C ATOM 319 O GLY A 23 4.110 -3.354 -25.821 1.00 0.00 O ATOM 0 H GLY A 23 3.839 -3.405 -22.417 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.596 -5.211 -24.263 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.900 -4.776 -24.179 1.00 0.00 H new ATOM 323 N PRO A 24 2.240 -2.298 -25.166 1.00 0.00 N ATOM 324 CA PRO A 24 2.346 -1.248 -26.173 1.00 0.00 C ATOM 325 C PRO A 24 3.071 -0.010 -25.688 1.00 0.00 C ATOM 326 O PRO A 24 2.441 0.960 -25.264 1.00 0.00 O ATOM 327 CB PRO A 24 0.880 -0.943 -26.458 1.00 0.00 C ATOM 328 CG PRO A 24 0.169 -1.200 -25.169 1.00 0.00 C ATOM 329 CD PRO A 24 1.013 -2.146 -24.360 1.00 0.00 C ATOM 0 HA PRO A 24 2.930 -1.561 -27.039 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.748 0.090 -26.781 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.493 -1.578 -27.255 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.013 -0.268 -24.626 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.815 -1.630 -25.355 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.231 -1.742 -23.371 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.511 -3.102 -24.210 1.00 0.00 H new ATOM 337 N SER A 25 4.400 -0.039 -25.740 1.00 0.00 N ATOM 338 CA SER A 25 5.190 1.099 -25.287 1.00 0.00 C ATOM 339 C SER A 25 4.728 1.527 -23.907 1.00 0.00 C ATOM 340 O SER A 25 4.890 2.679 -23.516 1.00 0.00 O ATOM 341 CB SER A 25 5.010 2.275 -26.244 1.00 0.00 C ATOM 342 OG SER A 25 6.184 3.067 -26.306 1.00 0.00 O ATOM 0 H SER A 25 4.946 -0.828 -26.087 1.00 0.00 H new ATOM 0 HA SER A 25 6.239 0.804 -25.257 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.765 1.904 -27.239 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.171 2.889 -25.917 1.00 0.00 H new ATOM 0 HG SER A 25 6.043 3.812 -26.927 1.00 0.00 H new ATOM 348 N ILE A 26 4.101 0.605 -23.197 1.00 0.00 N ATOM 349 CA ILE A 26 3.554 0.905 -21.899 1.00 0.00 C ATOM 350 C ILE A 26 4.359 0.316 -20.762 1.00 0.00 C ATOM 351 O ILE A 26 5.109 -0.640 -20.932 1.00 0.00 O ATOM 352 CB ILE A 26 2.123 0.378 -21.811 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.259 1.304 -20.993 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.090 -1.004 -21.203 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.201 1.140 -21.336 1.00 0.00 C ATOM 0 H ILE A 26 3.961 -0.358 -23.504 1.00 0.00 H new ATOM 0 HA ILE A 26 3.583 1.989 -21.793 1.00 0.00 H new ATOM 0 HB ILE A 26 1.732 0.328 -22.827 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.410 1.103 -19.932 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.562 2.336 -21.168 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.059 -1.355 -21.152 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.676 -1.687 -21.819 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.511 -0.970 -20.198 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.796 1.822 -20.729 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.354 1.366 -22.391 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.509 0.114 -21.136 1.00 0.00 H new ATOM 367 N CYS A 27 4.153 0.895 -19.592 1.00 0.00 N ATOM 368 CA CYS A 27 4.804 0.467 -18.390 1.00 0.00 C ATOM 369 C CYS A 27 3.940 0.812 -17.188 1.00 0.00 C ATOM 370 O CYS A 27 3.257 1.835 -17.175 1.00 0.00 O ATOM 371 CB CYS A 27 6.144 1.149 -18.283 1.00 0.00 C ATOM 372 SG CYS A 27 7.577 0.052 -18.503 1.00 0.00 S ATOM 0 H CYS A 27 3.520 1.684 -19.460 1.00 0.00 H new ATOM 0 HA CYS A 27 4.952 -0.613 -18.415 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.193 1.942 -19.029 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.216 1.626 -17.306 1.00 0.00 H new ATOM 377 N CYS A 28 3.963 -0.044 -16.191 1.00 0.00 N ATOM 378 CA CYS A 28 3.180 0.155 -15.001 1.00 0.00 C ATOM 379 C CYS A 28 3.959 -0.322 -13.795 1.00 0.00 C ATOM 380 O CYS A 28 4.549 -1.403 -13.824 1.00 0.00 O ATOM 381 CB CYS A 28 1.883 -0.635 -15.122 1.00 0.00 C ATOM 382 SG CYS A 28 0.428 0.150 -14.382 1.00 0.00 S ATOM 0 H CYS A 28 4.525 -0.895 -16.186 1.00 0.00 H new ATOM 0 HA CYS A 28 2.953 1.214 -14.882 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.682 -0.813 -16.178 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.026 -1.610 -14.656 1.00 0.00 H new ATOM 387 N GLY A 29 3.946 0.455 -12.731 1.00 0.00 N ATOM 388 CA GLY A 29 4.631 0.062 -11.546 1.00 0.00 C ATOM 389 C GLY A 29 3.687 0.004 -10.363 1.00 0.00 C ATOM 390 O GLY A 29 2.533 0.417 -10.477 1.00 0.00 O ATOM 0 H GLY A 29 3.468 1.354 -12.675 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.092 -0.915 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.437 0.766 -11.338 1.00 0.00 H new ATOM 394 N ASP A 30 4.156 -0.503 -9.228 1.00 0.00 N ATOM 395 CA ASP A 30 3.315 -0.596 -8.047 1.00 0.00 C ATOM 396 C ASP A 30 3.144 0.791 -7.439 1.00 0.00 C ATOM 397 O ASP A 30 2.143 1.464 -7.682 1.00 0.00 O ATOM 398 CB ASP A 30 3.935 -1.562 -7.037 1.00 0.00 C ATOM 399 CG ASP A 30 3.010 -1.850 -5.875 1.00 0.00 C ATOM 400 OD1 ASP A 30 2.492 -0.884 -5.277 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.802 -3.041 -5.565 1.00 0.00 O ATOM 0 H ASP A 30 5.106 -0.852 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 30 2.334 -0.981 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.186 -2.497 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.867 -1.141 -6.661 1.00 0.00 H new ATOM 406 N GLU A 31 4.152 1.244 -6.708 1.00 0.00 N ATOM 407 CA GLU A 31 4.143 2.577 -6.141 1.00 0.00 C ATOM 408 C GLU A 31 4.428 3.578 -7.261 1.00 0.00 C ATOM 409 O GLU A 31 4.517 4.787 -7.047 1.00 0.00 O ATOM 410 CB GLU A 31 5.229 2.690 -5.076 1.00 0.00 C ATOM 411 CG GLU A 31 6.624 2.411 -5.624 1.00 0.00 C ATOM 412 CD GLU A 31 7.632 3.471 -5.229 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.565 4.589 -5.782 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.488 3.184 -4.366 1.00 0.00 O ATOM 0 H GLU A 31 4.989 0.702 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 31 3.174 2.782 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.206 3.691 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.014 1.990 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.964 1.440 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.577 2.348 -6.711 1.00 0.00 H new ATOM 421 N LEU A 32 4.646 3.014 -8.443 1.00 0.00 N ATOM 422 CA LEU A 32 5.009 3.728 -9.640 1.00 0.00 C ATOM 423 C LEU A 32 3.809 4.159 -10.474 1.00 0.00 C ATOM 424 O LEU A 32 3.891 5.097 -11.264 1.00 0.00 O ATOM 425 CB LEU A 32 5.835 2.736 -10.415 1.00 0.00 C ATOM 426 CG LEU A 32 7.234 3.107 -10.824 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.656 2.157 -11.912 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.371 4.541 -11.291 1.00 0.00 C ATOM 0 H LEU A 32 4.569 2.007 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 32 5.530 4.653 -9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.898 1.825 -9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.283 2.487 -11.321 1.00 0.00 H new ATOM 0 HG LEU A 32 7.879 3.028 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.669 2.398 -12.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.629 1.135 -11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.976 2.248 -12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.407 4.736 -11.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.726 4.706 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.079 5.215 -10.486 1.00 0.00 H new ATOM 440 N GLY A 33 2.707 3.460 -10.302 1.00 0.00 N ATOM 441 CA GLY A 33 1.512 3.767 -11.058 1.00 0.00 C ATOM 442 C GLY A 33 1.609 3.276 -12.488 1.00 0.00 C ATOM 443 O GLY A 33 2.430 2.416 -12.798 1.00 0.00 O ATOM 0 H GLY A 33 2.614 2.681 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.649 3.310 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.346 4.844 -11.054 1.00 0.00 H new ATOM 447 N CYS A 34 0.780 3.813 -13.374 1.00 0.00 N ATOM 448 CA CYS A 34 0.814 3.390 -14.772 1.00 0.00 C ATOM 449 C CYS A 34 1.257 4.494 -15.721 1.00 0.00 C ATOM 450 O CYS A 34 0.840 5.646 -15.604 1.00 0.00 O ATOM 451 CB CYS A 34 -0.537 2.846 -15.217 1.00 0.00 C ATOM 452 SG CYS A 34 -0.423 1.173 -15.909 1.00 0.00 S ATOM 0 H CYS A 34 0.087 4.529 -13.158 1.00 0.00 H new ATOM 0 HA CYS A 34 1.560 2.597 -14.821 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.219 2.838 -14.367 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.966 3.515 -15.963 1.00 0.00 H new ATOM 457 N PHE A 35 2.074 4.101 -16.694 1.00 0.00 N ATOM 458 CA PHE A 35 2.564 5.012 -17.726 1.00 0.00 C ATOM 459 C PHE A 35 2.377 4.400 -19.106 1.00 0.00 C ATOM 460 O PHE A 35 2.225 3.184 -19.240 1.00 0.00 O ATOM 461 CB PHE A 35 4.050 5.316 -17.544 1.00 0.00 C ATOM 462 CG PHE A 35 4.505 5.370 -16.121 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.512 4.230 -15.338 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.936 6.564 -15.571 1.00 0.00 C ATOM 465 CE1 PHE A 35 4.938 4.282 -14.031 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.365 6.619 -14.264 1.00 0.00 C ATOM 467 CZ PHE A 35 5.366 5.476 -13.495 1.00 0.00 C ATOM 0 H PHE A 35 2.415 3.144 -16.790 1.00 0.00 H new ATOM 0 HA PHE A 35 1.990 5.934 -17.635 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.630 4.556 -18.068 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.273 6.271 -18.019 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.180 3.291 -15.756 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.936 7.461 -16.172 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.937 3.387 -13.426 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.700 7.555 -13.843 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.703 5.516 -12.470 1.00 0.00 H new ATOM 477 N VAL A 36 2.435 5.241 -20.130 1.00 0.00 N ATOM 478 CA VAL A 36 2.326 4.779 -21.506 1.00 0.00 C ATOM 479 C VAL A 36 3.280 5.556 -22.385 1.00 0.00 C ATOM 480 O VAL A 36 3.010 6.696 -22.764 1.00 0.00 O ATOM 481 CB VAL A 36 0.919 4.901 -22.112 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.782 3.926 -23.274 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.172 4.664 -21.079 1.00 0.00 C ATOM 0 H VAL A 36 2.557 6.249 -20.033 1.00 0.00 H new ATOM 0 HA VAL A 36 2.571 3.717 -21.471 1.00 0.00 H new ATOM 0 HB VAL A 36 0.793 5.921 -22.474 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.216 4.011 -23.705 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.527 4.159 -24.035 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.936 2.908 -22.915 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.149 4.760 -21.553 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.068 3.662 -20.663 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.082 5.400 -20.280 1.00 0.00 H new ATOM 493 N GLY A 37 4.399 4.932 -22.701 1.00 0.00 N ATOM 494 CA GLY A 37 5.402 5.578 -23.538 1.00 0.00 C ATOM 495 C GLY A 37 6.159 6.684 -22.809 1.00 0.00 C ATOM 496 O GLY A 37 7.127 7.234 -23.338 1.00 0.00 O ATOM 0 H GLY A 37 4.638 3.988 -22.396 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.112 4.829 -23.889 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.917 5.997 -24.420 1.00 0.00 H new ATOM 500 N THR A 38 5.709 7.006 -21.594 1.00 0.00 N ATOM 501 CA THR A 38 6.326 8.038 -20.767 1.00 0.00 C ATOM 502 C THR A 38 7.743 7.628 -20.381 1.00 0.00 C ATOM 503 O THR A 38 8.121 6.466 -20.531 1.00 0.00 O ATOM 504 CB THR A 38 5.476 8.230 -19.502 1.00 0.00 C ATOM 505 OG1 THR A 38 4.109 8.364 -19.840 1.00 0.00 O ATOM 506 CG2 THR A 38 5.846 9.428 -18.647 1.00 0.00 C ATOM 0 H THR A 38 4.904 6.556 -21.158 1.00 0.00 H new ATOM 0 HA THR A 38 6.377 8.972 -21.327 1.00 0.00 H new ATOM 0 HB THR A 38 5.676 7.335 -18.913 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.580 8.484 -19.024 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.187 9.474 -17.780 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.879 9.332 -18.313 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.738 10.341 -19.233 1.00 0.00 H new ATOM 514 N ALA A 39 8.509 8.579 -19.854 1.00 0.00 N ATOM 515 CA ALA A 39 9.875 8.317 -19.416 1.00 0.00 C ATOM 516 C ALA A 39 9.955 7.041 -18.581 1.00 0.00 C ATOM 517 O ALA A 39 10.742 6.149 -18.871 1.00 0.00 O ATOM 518 CB ALA A 39 10.401 9.503 -18.622 1.00 0.00 C ATOM 0 H ALA A 39 8.204 9.543 -19.720 1.00 0.00 H new ATOM 0 HA ALA A 39 10.495 8.174 -20.301 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.422 9.300 -18.298 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.390 10.394 -19.249 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.769 9.666 -17.749 1.00 0.00 H new ATOM 524 N GLU A 40 9.129 6.952 -17.547 1.00 0.00 N ATOM 525 CA GLU A 40 9.111 5.773 -16.692 1.00 0.00 C ATOM 526 C GLU A 40 8.565 4.548 -17.439 1.00 0.00 C ATOM 527 O GLU A 40 8.311 3.510 -16.827 1.00 0.00 O ATOM 528 CB GLU A 40 8.274 6.042 -15.441 1.00 0.00 C ATOM 529 CG GLU A 40 9.098 6.247 -14.177 1.00 0.00 C ATOM 530 CD GLU A 40 9.425 7.706 -13.924 1.00 0.00 C ATOM 531 OE1 GLU A 40 8.626 8.573 -14.333 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.480 7.980 -13.313 1.00 0.00 O ATOM 0 H GLU A 40 8.465 7.679 -17.281 1.00 0.00 H new ATOM 0 HA GLU A 40 10.138 5.557 -16.397 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.661 6.927 -15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.592 5.206 -15.286 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.551 5.848 -13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.025 5.679 -14.256 1.00 0.00 H new ATOM 539 N ALA A 41 8.340 4.684 -18.752 1.00 0.00 N ATOM 540 CA ALA A 41 7.784 3.593 -19.547 1.00 0.00 C ATOM 541 C ALA A 41 8.639 3.221 -20.753 1.00 0.00 C ATOM 542 O ALA A 41 8.304 2.302 -21.504 1.00 0.00 O ATOM 543 CB ALA A 41 6.424 3.991 -20.042 1.00 0.00 C ATOM 0 H ALA A 41 8.535 5.535 -19.279 1.00 0.00 H new ATOM 0 HA ALA A 41 7.744 2.722 -18.893 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.002 3.181 -20.637 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.773 4.194 -19.192 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.508 4.887 -20.657 1.00 0.00 H new ATOM 549 N LEU A 42 9.742 3.909 -20.923 1.00 0.00 N ATOM 550 CA LEU A 42 10.657 3.638 -22.015 1.00 0.00 C ATOM 551 C LEU A 42 11.294 2.253 -21.897 1.00 0.00 C ATOM 552 O LEU A 42 11.909 1.759 -22.842 1.00 0.00 O ATOM 553 CB LEU A 42 11.746 4.712 -22.059 1.00 0.00 C ATOM 554 CG LEU A 42 12.423 5.066 -20.718 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.113 4.049 -19.620 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.928 5.201 -20.903 1.00 0.00 C ATOM 0 H LEU A 42 10.034 4.672 -20.312 1.00 0.00 H new ATOM 0 HA LEU A 42 10.082 3.658 -22.941 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.519 4.385 -22.755 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.310 5.622 -22.471 1.00 0.00 H new ATOM 0 HG LEU A 42 12.011 6.022 -20.395 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.613 4.345 -18.698 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.037 4.011 -19.453 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.468 3.065 -19.925 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.391 5.451 -19.948 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.336 4.258 -21.268 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.136 5.991 -21.625 1.00 0.00 H new ATOM 568 N ARG A 43 11.147 1.637 -20.727 1.00 0.00 N ATOM 569 CA ARG A 43 11.705 0.319 -20.460 1.00 0.00 C ATOM 570 C ARG A 43 11.385 -0.691 -21.554 1.00 0.00 C ATOM 571 O ARG A 43 12.045 -1.725 -21.655 1.00 0.00 O ATOM 572 CB ARG A 43 11.181 -0.184 -19.131 1.00 0.00 C ATOM 573 CG ARG A 43 12.269 -0.463 -18.112 1.00 0.00 C ATOM 574 CD ARG A 43 13.219 0.718 -17.966 1.00 0.00 C ATOM 575 NE ARG A 43 13.974 0.660 -16.716 1.00 0.00 N ATOM 576 CZ ARG A 43 14.858 -0.293 -16.430 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.111 -1.260 -17.304 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.497 -0.275 -15.269 1.00 0.00 N ATOM 0 H ARG A 43 10.638 2.039 -19.940 1.00 0.00 H new ATOM 0 HA ARG A 43 12.790 0.423 -20.432 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.491 0.553 -18.720 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.609 -1.097 -19.298 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.815 -0.686 -17.147 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.831 -1.347 -18.412 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.911 0.733 -18.808 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.651 1.647 -18.004 1.00 0.00 H new ATOM 0 HE ARG A 43 13.814 1.392 -16.023 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.627 -1.276 -18.202 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.790 -1.987 -17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.311 0.469 -14.596 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.175 -1.005 -15.048 1.00 0.00 H new ATOM 592 N CYS A 44 10.378 -0.403 -22.367 1.00 0.00 N ATOM 593 CA CYS A 44 10.007 -1.314 -23.433 1.00 0.00 C ATOM 594 C CYS A 44 11.096 -1.387 -24.498 1.00 0.00 C ATOM 595 O CYS A 44 11.032 -2.217 -25.405 1.00 0.00 O ATOM 596 CB CYS A 44 8.668 -0.923 -24.032 1.00 0.00 C ATOM 597 SG CYS A 44 7.244 -1.724 -23.221 1.00 0.00 S ATOM 0 H CYS A 44 9.812 0.443 -22.308 1.00 0.00 H new ATOM 0 HA CYS A 44 9.902 -2.312 -23.007 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.552 0.159 -23.966 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.664 -1.180 -25.091 1.00 0.00 H new ATOM 602 N GLN A 45 12.125 -0.550 -24.354 1.00 0.00 N ATOM 603 CA GLN A 45 13.249 -0.566 -25.262 1.00 0.00 C ATOM 604 C GLN A 45 13.960 -1.916 -25.154 1.00 0.00 C ATOM 605 O GLN A 45 14.720 -2.318 -26.035 1.00 0.00 O ATOM 606 CB GLN A 45 14.213 0.555 -24.901 1.00 0.00 C ATOM 607 CG GLN A 45 14.092 1.786 -25.785 1.00 0.00 C ATOM 608 CD GLN A 45 14.751 3.006 -25.172 1.00 0.00 C ATOM 609 OE1 GLN A 45 15.731 3.530 -25.701 1.00 0.00 O ATOM 610 NE2 GLN A 45 14.214 3.463 -24.048 1.00 0.00 N ATOM 0 H GLN A 45 12.193 0.146 -23.611 1.00 0.00 H new ATOM 0 HA GLN A 45 12.899 -0.419 -26.284 1.00 0.00 H new ATOM 0 HB2 GLN A 45 14.042 0.847 -23.865 1.00 0.00 H new ATOM 0 HB3 GLN A 45 15.233 0.176 -24.962 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.546 1.580 -26.754 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.038 1.998 -25.965 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.401 2.997 -23.645 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.614 4.280 -23.587 1.00 0.00 H new ATOM 619 N GLU A 46 13.641 -2.623 -24.074 1.00 0.00 N ATOM 620 CA GLU A 46 14.173 -3.949 -23.829 1.00 0.00 C ATOM 621 C GLU A 46 13.351 -4.948 -24.628 1.00 0.00 C ATOM 622 O GLU A 46 13.834 -6.012 -25.021 1.00 0.00 O ATOM 623 CB GLU A 46 14.116 -4.284 -22.338 1.00 0.00 C ATOM 624 CG GLU A 46 12.700 -4.379 -21.793 1.00 0.00 C ATOM 625 CD GLU A 46 12.349 -5.771 -21.314 1.00 0.00 C ATOM 626 OE1 GLU A 46 12.407 -6.714 -22.130 1.00 0.00 O ATOM 627 OE2 GLU A 46 12.013 -5.914 -20.122 1.00 0.00 O ATOM 0 H GLU A 46 13.007 -2.289 -23.348 1.00 0.00 H new ATOM 0 HA GLU A 46 15.217 -3.992 -24.139 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.627 -5.231 -22.166 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.661 -3.522 -21.781 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.585 -3.676 -20.968 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.996 -4.078 -22.569 1.00 0.00 H new ATOM 634 N GLU A 47 12.100 -4.567 -24.890 1.00 0.00 N ATOM 635 CA GLU A 47 11.195 -5.403 -25.664 1.00 0.00 C ATOM 636 C GLU A 47 11.443 -5.215 -27.160 1.00 0.00 C ATOM 637 O GLU A 47 10.798 -5.855 -27.990 1.00 0.00 O ATOM 638 CB GLU A 47 9.741 -5.057 -25.331 1.00 0.00 C ATOM 639 CG GLU A 47 9.158 -5.884 -24.198 1.00 0.00 C ATOM 640 CD GLU A 47 7.659 -6.078 -24.332 1.00 0.00 C ATOM 641 OE1 GLU A 47 6.946 -5.074 -24.538 1.00 0.00 O ATOM 642 OE2 GLU A 47 7.198 -7.234 -24.227 1.00 0.00 O ATOM 0 H GLU A 47 11.695 -3.685 -24.576 1.00 0.00 H new ATOM 0 HA GLU A 47 11.381 -6.445 -25.405 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.680 -4.001 -25.067 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.130 -5.198 -26.223 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.647 -6.858 -24.175 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.374 -5.396 -23.248 1.00 0.00 H new ATOM 649 N ASN A 48 12.385 -4.335 -27.497 1.00 0.00 N ATOM 650 CA ASN A 48 12.718 -4.064 -28.879 1.00 0.00 C ATOM 651 C ASN A 48 13.841 -4.976 -29.371 1.00 0.00 C ATOM 652 O ASN A 48 14.230 -4.911 -30.536 1.00 0.00 O ATOM 653 CB ASN A 48 13.122 -2.596 -29.047 1.00 0.00 C ATOM 654 CG ASN A 48 12.132 -1.817 -29.892 1.00 0.00 C ATOM 655 OD1 ASN A 48 11.591 -2.335 -30.870 1.00 0.00 O ATOM 656 ND2 ASN A 48 11.893 -0.563 -29.523 1.00 0.00 N ATOM 0 H ASN A 48 12.929 -3.799 -26.821 1.00 0.00 H new ATOM 0 HA ASN A 48 11.832 -4.265 -29.482 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.203 -2.130 -28.065 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.109 -2.544 -29.507 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.239 0.010 -30.057 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.363 -0.173 -28.706 1.00 0.00 H new ATOM 663 N TYR A 49 14.365 -5.824 -28.482 1.00 0.00 N ATOM 664 CA TYR A 49 15.454 -6.731 -28.851 1.00 0.00 C ATOM 665 C TYR A 49 14.921 -8.112 -29.229 1.00 0.00 C ATOM 666 O TYR A 49 15.093 -8.561 -30.363 1.00 0.00 O ATOM 667 CB TYR A 49 16.455 -6.858 -27.698 1.00 0.00 C ATOM 668 CG TYR A 49 17.541 -5.806 -27.730 1.00 0.00 C ATOM 669 CD1 TYR A 49 18.310 -5.609 -28.871 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.787 -4.999 -26.626 1.00 0.00 C ATOM 671 CE1 TYR A 49 19.292 -4.640 -28.910 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.768 -4.025 -26.660 1.00 0.00 C ATOM 673 CZ TYR A 49 19.517 -3.851 -27.803 1.00 0.00 C ATOM 674 OH TYR A 49 20.494 -2.882 -27.841 1.00 0.00 O ATOM 0 H TYR A 49 14.057 -5.901 -27.513 1.00 0.00 H new ATOM 0 HA TYR A 49 15.958 -6.309 -29.720 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.919 -6.788 -26.751 1.00 0.00 H new ATOM 0 HB3 TYR A 49 16.915 -7.846 -27.732 1.00 0.00 H new ATOM 0 HD1 TYR A 49 18.136 -6.224 -29.741 1.00 0.00 H new ATOM 0 HD2 TYR A 49 17.203 -5.135 -25.728 1.00 0.00 H new ATOM 0 HE1 TYR A 49 19.881 -4.501 -29.804 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.946 -3.404 -25.795 1.00 0.00 H new ATOM 0 HH TYR A 49 20.524 -2.414 -26.981 1.00 0.00 H new ATOM 684 N LEU A 50 14.279 -8.782 -28.277 1.00 0.00 N ATOM 685 CA LEU A 50 13.731 -10.113 -28.522 1.00 0.00 C ATOM 686 C LEU A 50 12.324 -10.245 -27.937 1.00 0.00 C ATOM 687 O LEU A 50 12.130 -10.089 -26.732 1.00 0.00 O ATOM 688 CB LEU A 50 14.644 -11.181 -27.917 1.00 0.00 C ATOM 689 CG LEU A 50 16.093 -11.147 -28.410 1.00 0.00 C ATOM 690 CD1 LEU A 50 17.052 -11.494 -27.278 1.00 0.00 C ATOM 691 CD2 LEU A 50 16.279 -12.100 -29.585 1.00 0.00 C ATOM 0 H LEU A 50 14.126 -8.428 -27.333 1.00 0.00 H new ATOM 0 HA LEU A 50 13.671 -10.258 -29.601 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.642 -11.068 -26.833 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.224 -12.163 -28.136 1.00 0.00 H new ATOM 0 HG LEU A 50 16.318 -10.136 -28.750 1.00 0.00 H new ATOM 0 HD11 LEU A 50 18.077 -11.465 -27.648 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.937 -10.772 -26.470 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.829 -12.494 -26.906 1.00 0.00 H new ATOM 0 HD21 LEU A 50 17.315 -12.063 -29.923 1.00 0.00 H new ATOM 0 HD22 LEU A 50 16.035 -13.115 -29.272 1.00 0.00 H new ATOM 0 HD23 LEU A 50 15.620 -11.804 -30.401 1.00 0.00 H new ATOM 703 N PRO A 51 11.318 -10.534 -28.786 1.00 0.00 N ATOM 704 CA PRO A 51 9.925 -10.687 -28.350 1.00 0.00 C ATOM 705 C PRO A 51 9.791 -11.535 -27.088 1.00 0.00 C ATOM 706 O PRO A 51 10.110 -12.723 -27.092 1.00 0.00 O ATOM 707 CB PRO A 51 9.278 -11.386 -29.540 1.00 0.00 C ATOM 708 CG PRO A 51 10.019 -10.833 -30.698 1.00 0.00 C ATOM 709 CD PRO A 51 11.449 -10.736 -30.244 1.00 0.00 C ATOM 0 HA PRO A 51 9.467 -9.733 -28.087 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.381 -12.469 -29.476 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.211 -11.170 -29.603 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.926 -11.480 -31.570 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.630 -9.856 -30.984 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.010 -11.641 -30.478 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.969 -9.906 -30.722 1.00 0.00 H new ATOM 717 N SER A 52 9.317 -10.915 -26.013 1.00 0.00 N ATOM 718 CA SER A 52 9.139 -11.611 -24.742 1.00 0.00 C ATOM 719 C SER A 52 7.688 -11.519 -24.271 1.00 0.00 C ATOM 720 O SER A 52 7.090 -10.444 -24.294 1.00 0.00 O ATOM 721 CB SER A 52 10.065 -11.016 -23.678 1.00 0.00 C ATOM 722 OG SER A 52 10.211 -11.897 -22.576 1.00 0.00 O ATOM 0 H SER A 52 9.049 -9.931 -25.995 1.00 0.00 H new ATOM 0 HA SER A 52 9.391 -12.661 -24.892 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.042 -10.811 -24.116 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.664 -10.063 -23.334 1.00 0.00 H new ATOM 0 HG SER A 52 10.808 -11.494 -21.912 1.00 0.00 H new ATOM 728 N PRO A 53 7.099 -12.650 -23.838 1.00 0.00 N ATOM 729 CA PRO A 53 5.720 -12.692 -23.368 1.00 0.00 C ATOM 730 C PRO A 53 5.612 -12.409 -21.872 1.00 0.00 C ATOM 731 O PRO A 53 6.615 -12.155 -21.208 1.00 0.00 O ATOM 732 CB PRO A 53 5.318 -14.130 -23.672 1.00 0.00 C ATOM 733 CG PRO A 53 6.574 -14.917 -23.482 1.00 0.00 C ATOM 734 CD PRO A 53 7.726 -13.984 -23.785 1.00 0.00 C ATOM 0 HA PRO A 53 5.089 -11.939 -23.841 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.530 -14.472 -23.001 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.937 -14.229 -24.688 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.642 -15.296 -22.462 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.592 -15.782 -24.145 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.494 -14.034 -23.013 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.207 -14.237 -24.730 1.00 0.00 H new ATOM 742 N CYS A 54 4.388 -12.474 -21.354 1.00 0.00 N ATOM 743 CA CYS A 54 4.125 -12.242 -19.942 1.00 0.00 C ATOM 744 C CYS A 54 2.626 -12.248 -19.645 1.00 0.00 C ATOM 745 O CYS A 54 1.819 -12.674 -20.467 1.00 0.00 O ATOM 746 CB CYS A 54 4.755 -10.921 -19.496 1.00 0.00 C ATOM 747 SG CYS A 54 3.837 -9.424 -19.979 1.00 0.00 S ATOM 0 H CYS A 54 3.555 -12.689 -21.902 1.00 0.00 H new ATOM 0 HA CYS A 54 4.577 -13.057 -19.377 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.855 -10.932 -18.411 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.762 -10.859 -19.908 1.00 0.00 H new ATOM 752 N GLN A 55 2.269 -11.786 -18.457 1.00 0.00 N ATOM 753 CA GLN A 55 0.873 -11.738 -18.041 1.00 0.00 C ATOM 754 C GLN A 55 0.099 -10.680 -18.826 1.00 0.00 C ATOM 755 O GLN A 55 -0.581 -10.995 -19.802 1.00 0.00 O ATOM 756 CB GLN A 55 0.798 -11.453 -16.545 1.00 0.00 C ATOM 757 CG GLN A 55 -0.613 -11.314 -16.000 1.00 0.00 C ATOM 758 CD GLN A 55 -0.760 -11.932 -14.622 1.00 0.00 C ATOM 759 OE1 GLN A 55 0.149 -11.855 -13.796 1.00 0.00 O ATOM 760 NE2 GLN A 55 -1.909 -12.547 -14.365 1.00 0.00 N ATOM 0 H GLN A 55 2.928 -11.437 -17.761 1.00 0.00 H new ATOM 0 HA GLN A 55 0.414 -12.704 -18.249 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.303 -12.257 -16.009 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.347 -10.535 -16.335 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.880 -10.258 -15.953 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.314 -11.790 -16.686 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.637 -12.588 -15.079 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.064 -12.979 -13.454 1.00 0.00 H new ATOM 769 N SER A 56 0.210 -9.424 -18.397 1.00 0.00 N ATOM 770 CA SER A 56 -0.473 -8.322 -19.066 1.00 0.00 C ATOM 771 C SER A 56 -1.985 -8.538 -19.095 1.00 0.00 C ATOM 772 O SER A 56 -2.485 -9.405 -19.810 1.00 0.00 O ATOM 773 CB SER A 56 0.058 -8.161 -20.490 1.00 0.00 C ATOM 774 OG SER A 56 -0.548 -9.092 -21.369 1.00 0.00 O ATOM 0 H SER A 56 0.767 -9.146 -17.589 1.00 0.00 H new ATOM 0 HA SER A 56 -0.273 -7.412 -18.500 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.134 -7.147 -20.841 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.139 -8.301 -20.496 1.00 0.00 H new ATOM 0 HG SER A 56 -1.061 -9.746 -20.850 1.00 0.00 H new ATOM 780 N GLY A 57 -2.707 -7.739 -18.312 1.00 0.00 N ATOM 781 CA GLY A 57 -4.157 -7.852 -18.263 1.00 0.00 C ATOM 782 C GLY A 57 -4.659 -8.378 -16.940 1.00 0.00 C ATOM 783 O GLY A 57 -4.666 -9.586 -16.706 1.00 0.00 O ATOM 0 H GLY A 57 -2.314 -7.015 -17.710 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.600 -6.874 -18.451 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.492 -8.513 -19.062 1.00 0.00 H new ATOM 787 N GLN A 58 -5.072 -7.470 -16.065 1.00 0.00 N ATOM 788 CA GLN A 58 -5.566 -7.848 -14.761 1.00 0.00 C ATOM 789 C GLN A 58 -6.971 -7.300 -14.502 1.00 0.00 C ATOM 790 O GLN A 58 -7.485 -6.512 -15.287 1.00 0.00 O ATOM 791 CB GLN A 58 -4.608 -7.338 -13.711 1.00 0.00 C ATOM 792 CG GLN A 58 -3.686 -8.423 -13.209 1.00 0.00 C ATOM 793 CD GLN A 58 -4.178 -9.074 -11.928 1.00 0.00 C ATOM 794 OE1 GLN A 58 -5.373 -9.060 -11.634 1.00 0.00 O ATOM 795 NE2 GLN A 58 -3.259 -9.647 -11.159 1.00 0.00 N ATOM 0 H GLN A 58 -5.072 -6.465 -16.242 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.632 -8.935 -14.718 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.016 -6.523 -14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.173 -6.927 -12.874 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.578 -9.186 -13.980 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.696 -8.001 -13.038 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.279 -9.635 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.533 -10.099 -10.287 1.00 0.00 H new ATOM 804 N LYS A 59 -7.609 -7.829 -13.453 1.00 0.00 N ATOM 805 CA LYS A 59 -9.009 -7.515 -13.114 1.00 0.00 C ATOM 806 C LYS A 59 -9.501 -6.243 -13.829 1.00 0.00 C ATOM 807 O LYS A 59 -9.404 -5.120 -13.326 1.00 0.00 O ATOM 808 CB LYS A 59 -9.124 -7.367 -11.587 1.00 0.00 C ATOM 809 CG LYS A 59 -10.368 -6.640 -11.091 1.00 0.00 C ATOM 810 CD LYS A 59 -10.072 -5.876 -9.810 1.00 0.00 C ATOM 811 CE LYS A 59 -11.325 -5.248 -9.222 1.00 0.00 C ATOM 812 NZ LYS A 59 -11.007 -4.370 -8.061 1.00 0.00 N ATOM 0 H LYS A 59 -7.171 -8.489 -12.811 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.647 -8.330 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.103 -8.361 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.244 -6.836 -11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.722 -5.950 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.169 -7.358 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.627 -6.551 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.337 -5.097 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.835 -4.666 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.013 -6.033 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.886 -3.959 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.542 -4.931 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.371 -3.606 -8.367 1.00 0.00 H new ATOM 826 N PRO A 60 -9.969 -6.458 -15.083 1.00 0.00 N ATOM 827 CA PRO A 60 -10.434 -5.415 -16.001 1.00 0.00 C ATOM 828 C PRO A 60 -11.510 -4.450 -15.490 1.00 0.00 C ATOM 829 O PRO A 60 -12.157 -4.665 -14.466 1.00 0.00 O ATOM 830 CB PRO A 60 -11.044 -6.192 -17.167 1.00 0.00 C ATOM 831 CG PRO A 60 -10.385 -7.515 -17.155 1.00 0.00 C ATOM 832 CD PRO A 60 -9.976 -7.784 -15.734 1.00 0.00 C ATOM 0 HA PRO A 60 -9.581 -4.772 -16.215 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.123 -6.291 -17.049 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.872 -5.678 -18.113 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.064 -8.288 -17.515 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.517 -7.521 -17.815 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.675 -8.461 -15.243 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.993 -8.252 -15.688 1.00 0.00 H new ATOM 840 N CYS A 61 -11.684 -3.395 -16.290 1.00 0.00 N ATOM 841 CA CYS A 61 -12.678 -2.359 -16.034 1.00 0.00 C ATOM 842 C CYS A 61 -13.032 -1.568 -17.283 1.00 0.00 C ATOM 843 O CYS A 61 -12.294 -1.542 -18.272 1.00 0.00 O ATOM 844 CB CYS A 61 -12.251 -1.408 -14.931 1.00 0.00 C ATOM 845 SG CYS A 61 -10.492 -0.977 -14.963 1.00 0.00 S ATOM 0 H CYS A 61 -11.136 -3.238 -17.136 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.570 -2.892 -15.704 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.839 -0.493 -15.007 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.486 -1.859 -13.967 1.00 0.00 H new ATOM 850 N GLY A 62 -14.192 -0.941 -17.225 1.00 0.00 N ATOM 851 CA GLY A 62 -14.734 -0.173 -18.322 1.00 0.00 C ATOM 852 C GLY A 62 -14.331 1.289 -18.340 1.00 0.00 C ATOM 853 O GLY A 62 -15.014 2.120 -18.939 1.00 0.00 O ATOM 0 H GLY A 62 -14.791 -0.953 -16.400 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.419 -0.633 -19.259 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.822 -0.234 -18.287 1.00 0.00 H new ATOM 857 N SER A 63 -13.182 1.588 -17.753 1.00 0.00 N ATOM 858 CA SER A 63 -12.644 2.922 -17.774 1.00 0.00 C ATOM 859 C SER A 63 -11.445 2.962 -18.726 1.00 0.00 C ATOM 860 O SER A 63 -10.454 3.653 -18.484 1.00 0.00 O ATOM 861 CB SER A 63 -12.248 3.371 -16.371 1.00 0.00 C ATOM 862 OG SER A 63 -12.125 4.780 -16.295 1.00 0.00 O ATOM 0 H SER A 63 -12.606 0.910 -17.254 1.00 0.00 H new ATOM 0 HA SER A 63 -13.407 3.614 -18.131 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.995 3.030 -15.654 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.302 2.906 -16.092 1.00 0.00 H new ATOM 0 HG SER A 63 -11.591 5.020 -15.509 1.00 0.00 H new ATOM 868 N GLY A 64 -11.566 2.205 -19.818 1.00 0.00 N ATOM 869 CA GLY A 64 -10.529 2.138 -20.828 1.00 0.00 C ATOM 870 C GLY A 64 -9.583 0.943 -20.694 1.00 0.00 C ATOM 871 O GLY A 64 -8.619 0.834 -21.448 1.00 0.00 O ATOM 0 H GLY A 64 -12.383 1.628 -20.019 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.999 2.103 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.942 3.055 -20.788 1.00 0.00 H new ATOM 875 N GLY A 65 -9.843 0.068 -19.726 1.00 0.00 N ATOM 876 CA GLY A 65 -8.982 -1.075 -19.510 1.00 0.00 C ATOM 877 C GLY A 65 -9.069 -1.713 -18.156 1.00 0.00 C ATOM 878 O GLY A 65 -10.148 -1.899 -17.611 1.00 0.00 O ATOM 0 H GLY A 65 -10.636 0.133 -19.088 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.216 -1.829 -20.261 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.951 -0.766 -19.679 1.00 0.00 H new ATOM 882 N ARG A 66 -7.928 -2.186 -17.686 1.00 0.00 N ATOM 883 CA ARG A 66 -7.892 -2.942 -16.458 1.00 0.00 C ATOM 884 C ARG A 66 -7.609 -2.071 -15.260 1.00 0.00 C ATOM 885 O ARG A 66 -7.446 -0.872 -15.394 1.00 0.00 O ATOM 886 CB ARG A 66 -6.835 -4.047 -16.540 1.00 0.00 C ATOM 887 CG ARG A 66 -6.653 -4.657 -17.927 1.00 0.00 C ATOM 888 CD ARG A 66 -7.959 -5.182 -18.498 1.00 0.00 C ATOM 889 NE ARG A 66 -7.738 -6.084 -19.631 1.00 0.00 N ATOM 890 CZ ARG A 66 -7.578 -7.404 -19.522 1.00 0.00 C ATOM 891 NH1 ARG A 66 -7.544 -7.985 -18.329 1.00 0.00 N ATOM 892 NH2 ARG A 66 -7.431 -8.145 -20.613 1.00 0.00 N ATOM 0 H ARG A 66 -7.022 -2.058 -18.137 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.881 -3.383 -16.330 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.879 -3.641 -16.209 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.104 -4.840 -15.842 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.239 -3.907 -18.601 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.929 -5.470 -17.872 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.511 -5.707 -17.718 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.578 -4.344 -18.817 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.704 -5.676 -20.565 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.641 -7.421 -17.484 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.421 -8.995 -18.257 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.440 -7.705 -21.533 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.309 -9.154 -20.531 1.00 0.00 H new ATOM 906 N CYS A 67 -7.467 -2.696 -14.098 1.00 0.00 N ATOM 907 CA CYS A 67 -7.133 -1.992 -12.876 1.00 0.00 C ATOM 908 C CYS A 67 -5.624 -1.727 -12.864 1.00 0.00 C ATOM 909 O CYS A 67 -4.922 -2.000 -11.891 1.00 0.00 O ATOM 910 CB CYS A 67 -7.625 -2.846 -11.690 1.00 0.00 C ATOM 911 SG CYS A 67 -7.418 -2.169 -10.007 1.00 0.00 S ATOM 0 H CYS A 67 -7.581 -3.703 -13.981 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.621 -1.020 -12.802 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.685 -3.049 -11.841 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.108 -3.805 -11.731 1.00 0.00 H new ATOM 916 N ALA A 68 -5.155 -1.250 -14.016 1.00 0.00 N ATOM 917 CA ALA A 68 -3.748 -0.977 -14.299 1.00 0.00 C ATOM 918 C ALA A 68 -2.836 -0.707 -13.095 1.00 0.00 C ATOM 919 O ALA A 68 -1.838 -1.411 -12.948 1.00 0.00 O ATOM 920 CB ALA A 68 -3.619 0.132 -15.323 1.00 0.00 C ATOM 0 H ALA A 68 -5.766 -1.036 -14.805 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.376 -1.922 -14.695 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.564 0.323 -15.522 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.115 -0.166 -16.247 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.085 1.039 -14.938 1.00 0.00 H new ATOM 926 N ALA A 69 -3.081 0.315 -12.262 1.00 0.00 N ATOM 927 CA ALA A 69 -2.152 0.592 -11.156 1.00 0.00 C ATOM 928 C ALA A 69 -2.767 1.457 -10.079 1.00 0.00 C ATOM 929 O ALA A 69 -3.453 2.434 -10.377 1.00 0.00 O ATOM 930 CB ALA A 69 -0.941 1.328 -11.660 1.00 0.00 C ATOM 0 H ALA A 69 -3.883 0.942 -12.326 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.892 -0.381 -10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.263 1.525 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.431 0.721 -12.408 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.250 2.272 -12.109 1.00 0.00 H new ATOM 936 N ALA A 70 -2.488 1.092 -8.826 1.00 0.00 N ATOM 937 CA ALA A 70 -2.992 1.812 -7.635 1.00 0.00 C ATOM 938 C ALA A 70 -4.409 2.306 -7.816 1.00 0.00 C ATOM 939 O ALA A 70 -4.957 2.979 -6.947 1.00 0.00 O ATOM 940 CB ALA A 70 -2.151 3.033 -7.354 1.00 0.00 C ATOM 0 H ALA A 70 -1.905 0.287 -8.599 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.948 1.093 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.539 3.547 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.120 2.730 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.186 3.704 -8.212 1.00 0.00 H new ATOM 946 N GLY A 71 -4.923 2.082 -8.994 1.00 0.00 N ATOM 947 CA GLY A 71 -6.173 2.600 -9.355 1.00 0.00 C ATOM 948 C GLY A 71 -5.982 3.349 -10.635 1.00 0.00 C ATOM 949 O GLY A 71 -5.933 4.572 -10.658 1.00 0.00 O ATOM 0 H GLY A 71 -4.468 1.529 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.901 1.798 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.557 3.259 -8.576 1.00 0.00 H new ATOM 953 N ILE A 72 -5.868 2.603 -11.691 1.00 0.00 N ATOM 954 CA ILE A 72 -5.684 3.140 -12.992 1.00 0.00 C ATOM 955 C ILE A 72 -6.291 2.168 -13.950 1.00 0.00 C ATOM 956 O ILE A 72 -5.768 1.080 -14.147 1.00 0.00 O ATOM 957 CB ILE A 72 -4.188 3.364 -13.335 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.686 4.639 -12.683 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.947 3.421 -14.840 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.906 5.869 -13.532 1.00 0.00 C ATOM 0 H ILE A 72 -5.902 1.584 -11.665 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.158 4.120 -13.052 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.634 2.510 -12.944 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.189 4.772 -11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.621 4.537 -12.472 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.886 3.579 -15.033 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.262 2.482 -15.295 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.520 4.243 -15.269 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.525 6.746 -13.008 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.380 5.756 -14.480 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.972 5.995 -13.721 1.00 0.00 H new ATOM 972 N CYS A 73 -7.411 2.533 -14.523 1.00 0.00 N ATOM 973 CA CYS A 73 -8.041 1.657 -15.447 1.00 0.00 C ATOM 974 C CYS A 73 -7.393 1.987 -16.764 1.00 0.00 C ATOM 975 O CYS A 73 -7.683 3.019 -17.379 1.00 0.00 O ATOM 976 CB CYS A 73 -9.550 1.821 -15.455 1.00 0.00 C ATOM 977 SG CYS A 73 -10.407 0.505 -16.349 1.00 0.00 S ATOM 0 H CYS A 73 -7.890 3.419 -14.362 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.907 0.606 -15.191 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.911 1.847 -14.427 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.802 2.781 -15.906 1.00 0.00 H new ATOM 982 N CYS A 74 -6.391 1.198 -17.116 1.00 0.00 N ATOM 983 CA CYS A 74 -5.600 1.524 -18.275 1.00 0.00 C ATOM 984 C CYS A 74 -5.259 0.367 -19.184 1.00 0.00 C ATOM 985 O CYS A 74 -5.006 -0.763 -18.753 1.00 0.00 O ATOM 986 CB CYS A 74 -4.274 2.123 -17.806 1.00 0.00 C ATOM 987 SG CYS A 74 -2.962 2.171 -19.085 1.00 0.00 S ATOM 0 H CYS A 74 -6.116 0.348 -16.624 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.220 2.208 -18.855 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.454 3.138 -17.451 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.912 1.547 -16.954 1.00 0.00 H new ATOM 992 N SER A 75 -5.197 0.724 -20.453 1.00 0.00 N ATOM 993 CA SER A 75 -4.796 -0.195 -21.491 1.00 0.00 C ATOM 994 C SER A 75 -3.686 0.481 -22.311 1.00 0.00 C ATOM 995 O SER A 75 -2.863 1.186 -21.732 1.00 0.00 O ATOM 996 CB SER A 75 -6.011 -0.525 -22.358 1.00 0.00 C ATOM 997 OG SER A 75 -7.068 -1.044 -21.584 1.00 0.00 O ATOM 0 H SER A 75 -5.424 1.660 -20.789 1.00 0.00 H new ATOM 0 HA SER A 75 -4.416 -1.129 -21.077 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.345 0.374 -22.877 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.729 -1.248 -23.123 1.00 0.00 H new ATOM 0 HG SER A 75 -7.873 -0.504 -21.726 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.664 0.387 -23.660 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.675 1.097 -24.451 1.00 0.00 C ATOM 1005 C PRO A 76 -3.215 2.469 -24.809 1.00 0.00 C ATOM 1006 O PRO A 76 -2.480 3.442 -24.972 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.545 0.251 -25.722 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.707 -0.694 -25.725 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.570 -0.368 -24.536 1.00 0.00 C ATOM 0 HA PRO A 76 -1.726 1.233 -23.932 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.556 0.882 -26.611 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.601 -0.295 -25.730 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.277 -0.595 -26.649 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.360 -1.726 -25.673 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.440 0.223 -24.820 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.942 -1.270 -24.049 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.530 2.485 -24.971 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.333 3.663 -25.369 1.00 0.00 C ATOM 1019 C ASP A 77 -5.078 4.797 -24.439 1.00 0.00 C ATOM 1020 O ASP A 77 -4.674 5.882 -24.860 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.823 3.310 -25.382 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.501 3.709 -26.679 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.384 4.890 -27.072 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -8.149 2.842 -27.301 1.00 0.00 O ATOM 0 H ASP A 77 -5.102 1.653 -24.827 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.039 3.964 -26.375 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.941 2.237 -25.229 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.319 3.807 -24.548 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.200 4.522 -23.141 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.852 5.516 -22.150 1.00 0.00 C ATOM 1031 C GLY A 78 -5.001 5.015 -20.742 1.00 0.00 C ATOM 1032 O GLY A 78 -5.836 4.144 -20.475 1.00 0.00 O ATOM 0 H GLY A 78 -5.532 3.634 -22.765 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.822 5.836 -22.309 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.483 6.394 -22.286 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.248 5.581 -19.818 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.384 5.199 -18.431 1.00 0.00 C ATOM 1038 C CYS A 79 -5.010 6.308 -17.653 1.00 0.00 C ATOM 1039 O CYS A 79 -4.710 7.486 -17.851 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.077 4.872 -17.746 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.923 3.874 -18.724 1.00 0.00 S ATOM 0 H CYS A 79 -3.545 6.297 -20.002 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.998 4.299 -18.448 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.584 5.805 -17.473 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.294 4.343 -16.818 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.884 5.918 -16.772 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.588 6.873 -15.941 1.00 0.00 C ATOM 1048 C GLU A 80 -6.974 6.276 -14.597 1.00 0.00 C ATOM 1049 O GLU A 80 -7.432 5.136 -14.519 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.835 7.391 -16.666 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.931 6.346 -16.832 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.277 6.828 -16.325 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -11.007 7.476 -17.103 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.600 6.557 -15.149 1.00 0.00 O ATOM 0 H GLU A 80 -6.133 4.943 -16.604 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.910 7.705 -15.751 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.237 8.241 -16.114 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.545 7.758 -17.650 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.018 6.080 -17.885 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.648 5.440 -16.296 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.808 7.065 -13.537 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.145 6.636 -12.208 1.00 0.00 C ATOM 1063 C GLU A 81 -8.599 6.233 -12.176 1.00 0.00 C ATOM 1064 O GLU A 81 -9.492 7.023 -12.483 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.850 7.747 -11.199 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.198 9.130 -11.697 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.007 10.071 -11.700 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -5.222 10.030 -12.669 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.861 10.845 -10.730 1.00 0.00 O ATOM 0 H GLU A 81 -6.437 8.014 -13.589 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.536 5.775 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.406 7.550 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.791 7.719 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.600 9.057 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.985 9.549 -11.070 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.821 4.979 -11.821 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.147 4.438 -11.768 1.00 0.00 C ATOM 1078 C ASP A 82 -10.521 4.043 -10.343 1.00 0.00 C ATOM 1079 O ASP A 82 -9.960 3.113 -9.776 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.269 3.253 -12.734 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.247 2.186 -12.476 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.132 2.532 -12.064 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -9.567 0.993 -12.688 1.00 0.00 O ATOM 0 H ASP A 82 -8.086 4.320 -11.565 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.853 5.207 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.267 2.822 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.163 3.612 -13.758 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.486 4.762 -9.760 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.986 4.513 -8.421 1.00 0.00 C ATOM 1090 C PRO A 83 -12.421 3.073 -8.302 1.00 0.00 C ATOM 1091 O PRO A 83 -12.425 2.470 -7.232 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.177 5.478 -8.315 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.814 6.573 -9.236 1.00 0.00 C ATOM 1094 CD PRO A 83 -12.156 5.879 -10.386 1.00 0.00 C ATOM 0 HA PRO A 83 -11.253 4.671 -7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.110 4.998 -8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.312 5.839 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.693 7.131 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.139 7.286 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.884 5.548 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.452 6.533 -10.901 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.721 2.525 -9.453 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.087 1.150 -9.576 1.00 0.00 C ATOM 1104 C ALA A 84 -11.890 0.291 -9.207 1.00 0.00 C ATOM 1105 O ALA A 84 -11.999 -0.899 -8.908 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.474 0.912 -11.015 1.00 0.00 C ATOM 0 H ALA A 84 -12.716 3.034 -10.337 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.918 0.897 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.761 -0.131 -11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.314 1.555 -11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.627 1.140 -11.662 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.744 0.937 -9.291 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.471 0.332 -9.038 1.00 0.00 C ATOM 1114 C CYS A 85 -8.865 0.675 -7.659 1.00 0.00 C ATOM 1115 O CYS A 85 -8.372 -0.245 -7.010 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.542 0.689 -10.177 1.00 0.00 C ATOM 1117 SG CYS A 85 -6.952 -0.222 -10.265 1.00 0.00 S ATOM 0 H CYS A 85 -10.681 1.923 -9.545 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.615 -0.747 -8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.077 0.530 -11.114 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.320 1.754 -10.113 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.878 1.962 -7.173 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.261 2.228 -5.830 1.00 0.00 C ATOM 1124 C ASP A 86 -7.835 3.676 -5.428 1.00 0.00 C ATOM 1125 O ASP A 86 -7.585 3.897 -4.242 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.954 1.472 -5.769 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.405 1.324 -4.363 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -7.170 0.907 -3.467 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.209 1.619 -4.159 1.00 0.00 O ATOM 0 H ASP A 86 -9.276 2.772 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.075 1.948 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.096 0.481 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.217 1.986 -6.386 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.618 4.646 -6.336 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.091 5.963 -5.971 1.00 0.00 C ATOM 1136 C PRO A 87 -8.140 7.010 -5.874 1.00 0.00 C ATOM 1137 O PRO A 87 -8.444 7.539 -4.804 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.177 6.298 -7.150 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.449 5.250 -8.169 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.746 4.580 -7.767 1.00 0.00 C ATOM 0 HA PRO A 87 -6.611 5.938 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.390 7.292 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.129 6.292 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.532 5.689 -9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.635 4.526 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.623 5.113 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.819 3.556 -8.134 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.717 7.271 -7.016 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.794 8.235 -7.111 1.00 0.00 C ATOM 1150 C GLU A 88 -11.030 7.536 -6.546 1.00 0.00 C ATOM 1151 O GLU A 88 -12.168 7.988 -6.651 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.993 8.573 -8.601 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.708 9.887 -8.869 1.00 0.00 C ATOM 1154 CD GLU A 88 -11.275 9.957 -10.277 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -12.424 9.510 -10.476 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.568 10.452 -11.182 1.00 0.00 O ATOM 0 H GLU A 88 -8.462 6.831 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.595 9.159 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.017 8.602 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.558 7.767 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.515 10.013 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.014 10.714 -8.718 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.710 6.317 -6.080 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.609 5.280 -5.600 1.00 0.00 C ATOM 1165 C ALA A 89 -12.378 5.439 -4.300 1.00 0.00 C ATOM 1166 O ALA A 89 -12.173 6.307 -3.450 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.805 3.992 -5.519 1.00 0.00 C ATOM 0 H ALA A 89 -9.736 6.018 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.417 5.317 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.445 3.185 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.421 3.740 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.971 4.126 -4.830 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.182 4.391 -4.201 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.026 3.984 -3.127 1.00 0.00 C ATOM 1175 C ALA A 90 -13.266 2.910 -2.371 1.00 0.00 C ATOM 1176 O ALA A 90 -12.045 2.824 -2.492 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.278 3.385 -3.728 1.00 0.00 C ATOM 0 H ALA A 90 -13.254 3.735 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.294 4.810 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.947 3.063 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.780 4.132 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.011 2.528 -4.346 1.00 0.00 H new ATOM 1183 N PHE A 91 -13.968 2.044 -1.656 1.00 0.00 N ATOM 1184 CA PHE A 91 -13.301 0.948 -0.976 1.00 0.00 C ATOM 1185 C PHE A 91 -12.950 -0.086 -2.041 1.00 0.00 C ATOM 1186 O PHE A 91 -13.332 -1.253 -1.961 1.00 0.00 O ATOM 1187 CB PHE A 91 -14.209 0.340 0.092 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.171 1.075 1.401 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -14.984 2.176 1.618 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -13.317 0.667 2.414 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -14.950 2.855 2.821 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -13.278 1.343 3.619 1.00 0.00 C ATOM 1193 CZ PHE A 91 -14.094 2.437 3.822 1.00 0.00 C ATOM 0 H PHE A 91 -14.980 2.078 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.403 1.298 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -15.234 0.327 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.917 -0.697 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -15.652 2.507 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -12.675 -0.188 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -15.591 3.710 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -12.609 1.015 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 91 -14.064 2.966 4.763 1.00 0.00 H new ATOM 1203 N SER A 92 -12.224 0.395 -3.055 1.00 0.00 N ATOM 1204 CA SER A 92 -11.798 -0.407 -4.188 1.00 0.00 C ATOM 1205 C SER A 92 -10.330 -0.811 -4.053 1.00 0.00 C ATOM 1206 O SER A 92 -9.480 0.090 -3.885 1.00 0.00 O ATOM 1207 CB SER A 92 -12.029 0.380 -5.494 1.00 0.00 C ATOM 1208 OG SER A 92 -11.213 -0.119 -6.538 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.046 -2.024 -4.112 1.00 0.00 O ATOM 0 H SER A 92 -11.916 1.366 -3.105 1.00 0.00 H new ATOM 0 HA SER A 92 -12.391 -1.322 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.078 0.312 -5.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.811 1.435 -5.330 1.00 0.00 H new ATOM 0 HG SER A 92 -11.753 -0.676 -7.137 1.00 0.00 H new TER 1215 SER A 92